5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide

C16H16N4O3S — CID 78835799

IUPAC5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(Sc3nncn3C)cc2)o1
InChIInChI=1S/C16H16N4O3S/c1-20-10-17-19-16(20)24-13-6-3-11(4-7-13)18-15(21)14-8-5-12(23-14)9-22-2/h3-8,10H,9H2,1-2H3,(H,18,21)
InChIKeyCCUBKJBLWWIKLJ-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.96
Rot. Bonds6

About 5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide

5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide (PubChem CID 78835799) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide
PubChem CID78835799
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(Sc3nncn3C)cc2)o1
InChIInChI=1S/C16H16N4O3S/c1-20-10-17-19-16(20)24-13-6-3-11(4-7-13)18-15(21)14-8-5-12(23-14)9-22-2/h3-8,10H,9H2,1-2H3,(H,18,21)
InChIKeyCCUBKJBLWWIKLJ-UHFFFAOYSA-N
XLogP2.96
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55501140
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78888813
N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 86912094
3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 120541443
ethyl 2,4-dimethyl-5-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 55493848
2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
CID 55473008
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 55493690
3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
CID 55493215
2-(1-adamantyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide
CID 166191233
3-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1-benzothiophene-2-carboxamide
CID 55493699
2-amino-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785169

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide (CID 78835799) is 5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide is COCc1ccc(C(=O)Nc2ccc(Sc3nncn3C)cc2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide?
The InChIKey is CCUBKJBLWWIKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-20-10-17-19-16(20)24-13-6-3-11(4-7-13)18-15(21)14-8-5-12(23-14)9-22-2/h3-8,10H,9H2,1-2H3,(H,18,21).
What are the key properties of 5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide?
5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 78835799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).